CHEMBL5781400


SMILES O[C@@H]1[C@H](O)CS[C@H]1c1nnc2c(NC3(c4cccc(Cl)c4)CC3)nccn12
InChIKey XGLUXWGHMXFPDY-MGPQQGTHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 403.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.26 6.26 6.26 ChEMBL